2-ethoxy-3-nitropyridine

C7H8N2O3 — CID 15786625

IUPAC2-ethoxy-3-nitropyridine
SMILESCCOc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C7H8N2O3/c1-2-12-7-6(9(10)11)4-3-5-8-7/h3-5H,2H2,1H3
InChIKeyKJTXUEVNNJSFJA-UHFFFAOYSA-N
MW168.15 g/mol
LogP1.39
Rot. Bonds3

About 2-ethoxy-3-nitropyridine

2-ethoxy-3-nitropyridine (PubChem CID 15786625) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 2-ethoxy-3-nitropyridine.

Molecular Properties

Compound Name2-ethoxy-3-nitropyridine
PubChem CID15786625
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name2-ethoxy-3-nitropyridine
SMILESCCOc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C7H8N2O3/c1-2-12-7-6(9(10)11)4-3-5-8-7/h3-5H,2H2,1H3
InChIKeyKJTXUEVNNJSFJA-UHFFFAOYSA-N
XLogP1.39
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-nitropyridine?
The IUPAC name of 2-ethoxy-3-nitropyridine (CID 15786625) is 2-ethoxy-3-nitropyridine.
What is the SMILES notation for 2-ethoxy-3-nitropyridine?
The canonical SMILES for 2-ethoxy-3-nitropyridine is CCOc1ncccc1[N+](=O)[O-].
What is the InChIKey of 2-ethoxy-3-nitropyridine?
The InChIKey is KJTXUEVNNJSFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-2-12-7-6(9(10)11)4-3-5-8-7/h3-5H,2H2,1H3.
What are the key properties of 2-ethoxy-3-nitropyridine?
2-ethoxy-3-nitropyridine has a molecular weight of 168.15 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-nitropyridine is sourced from PubChem (CID 15786625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).